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(5R,6R)-5-[(E)-1-HYDROXYMETHYL-3-(4-METHOXYBENZYLOXY)-1-PROPENYL]-2-(2-NITROPHENYL)-6-[2-(TRIMETHYLSILYL)-ETHOXYMETHOXYMETHYL]-CYCLOHEX-2-ENONE
SpectraBase Compound ID IvRhqNDdWLl
InChI InChI=1S/C31H43NO8Si2/c1-36-25-11-9-23(10-12-25)19-37-16-15-24(20-40-41)26-13-14-28(27-7-5-6-8-30(27)32(34)35)31(33)29(26)21-39-22-38-17-18-42(2,3)4/h5-12,14-15,26,29H,13,16-22H2,1-4,41H3/b24-15+/t26-,29-/m0/s1
InChIKey NTOHPSPKGAZTDL-ZHXJHZLISA-N
Mol Weight 613.9 g/mol
Molecular Formula C31H43NO8Si2
Exact Mass 613.25272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2P3hcnH8Sgr
Name (5R,6R)-5-[(E)-1-HYDROXYMETHYL-3-(4-METHOXYBENZYLOXY)-1-PROPENYL]-2-(2-NITROPHENYL)-6-[2-(TRIMETHYLSILYL)-ETHOXYMETHOXYMETHYL]-CYCLOHEX-2-ENONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H43NO8Si2
InChI InChI=1S/C31H43NO8Si2/c1-36-25-11-9-23(10-12-25)19-37-16-15-24(20-40-41)26-13-14-28(27-7-5-6-8-30(27)32(34)35)31(33)29(26)21-39-22-38-17-18-42(2,3)4/h5-12,14-15,26,29H,13,16-22H2,1-4,41H3/b24-15+/t26-,29-/m0/s1
InChIKey NTOHPSPKGAZTDL-ZHXJHZLISA-N
Literature Reference Author T.OHSHIMA,Y.XU,R.TAKITA,S.SHIMIZU,D.ZHONG,M.SHIBASAKI
Literature Reference Citation J.AM.CHEM.SOC.,124,14546(2002)
Literature Reference DOI 10.1021/ja028457r
Molecular Weight 613.855 g/mol
Sample ID 47214
Solvent CDCl3